(4R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-phenylpyrrolidin-2-one

C16H19N3O — CID 97281019

IUPAC(4R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-phenylpyrrolidin-2-one
SMILESCc1c(CN2C[C@@H](c3ccccc3)CC2=O)cnn1C
InChIInChI=1S/C16H19N3O/c1-12-15(9-17-18(12)2)11-19-10-14(8-16(19)20)13-6-4-3-5-7-13/h3-7,9,14H,8,10-11H2,1-2H3/t14-/m0/s1
InChIKeyYZTGRSAHIJRPMI-AWEZNQCLSA-N
MW269.35 g/mol
LogP2.24
Rot. Bonds3

About (4R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-phenylpyrrolidin-2-one

(4R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-phenylpyrrolidin-2-one (PubChem CID 97281019) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is (4R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-phenylpyrrolidin-2-one
PubChem CID97281019
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name(4R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-phenylpyrrolidin-2-one
SMILESCc1c(CN2C[C@@H](c3ccccc3)CC2=O)cnn1C
InChIInChI=1S/C16H19N3O/c1-12-15(9-17-18(12)2)11-19-10-14(8-16(19)20)13-6-4-3-5-7-13/h3-7,9,14H,8,10-11H2,1-2H3/t14-/m0/s1
InChIKeyYZTGRSAHIJRPMI-AWEZNQCLSA-N
XLogP2.24
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1,5-dimethylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 106033262
1-[(1,5-dimethylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714487
1-[(4-methylphenyl)methyl]-4-phenylpyrrolidin-2-one
CID 155799488
4-phenyl-1-propylpyrrolidin-2-one
CID 13362249
(4S)-1-methyl-4-phenylpyrrolidin-2-one
CID 67575934
(4R)-4-phenyl-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-one
CID 97282055
dimethyl-[3-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]propyl]azanium
CID 6936015
(4S)-1-[3-(dimethylamino)propyl]-4-phenylpyrrolidin-2-one
CID 746436
1-(1H-imidazol-2-ylmethyl)-4-phenylpyrrolidin-2-one
CID 67327221
2-[[4-methyl-5-[(2-oxo-4-phenylpyrrolidin-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 4772876
2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide
CID 781884
1-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)methyl]-4-phenylpyrrolidin-2-one
CID 15952658

Frequently Asked Questions

What is the IUPAC name of (4R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-phenylpyrrolidin-2-one?
The IUPAC name of (4R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-phenylpyrrolidin-2-one (CID 97281019) is (4R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-phenylpyrrolidin-2-one.
What is the SMILES notation for (4R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-phenylpyrrolidin-2-one?
The canonical SMILES for (4R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-phenylpyrrolidin-2-one is Cc1c(CN2C[C@@H](c3ccccc3)CC2=O)cnn1C.
What is the InChIKey of (4R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-phenylpyrrolidin-2-one?
The InChIKey is YZTGRSAHIJRPMI-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H19N3O/c1-12-15(9-17-18(12)2)11-19-10-14(8-16(19)20)13-6-4-3-5-7-13/h3-7,9,14H,8,10-11H2,1-2H3/t14-/m0/s1.
What are the key properties of (4R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-phenylpyrrolidin-2-one?
(4R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-phenylpyrrolidin-2-one has a molecular weight of 269.35 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-phenylpyrrolidin-2-one is sourced from PubChem (CID 97281019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).